CID 10866760

Ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)CC(=O)C1(CC1)C
InChI
InChI=1S/C9H14O3/c1-3-12-8(11)6-7(10)9(2)4-5-9/h3-6H2,1-2H3
InChIKey
IWHYFYBVTHEJLL-UHFFFAOYSA-N
Compound name
ethyl 3-(1-methylcyclopropyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

170.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 138.4
[M+Na]+ 193.083518 147.1
[M-H]- 169.087024 143.2
[M+NH4]+ 188.128123 155.9
[M+K]+ 209.057458 146.6
[M+H-H2O]+ 153.091560 133.8
[M+HCOO]- 215.092501 160.3
[M+CH3COO]- 229.108151 182.7
[M+Na-2H]- 191.068966 143.2
[M]+ 170.09375142 144.0
[M]- 170.09484858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe